![1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one structure](/static/products/1336/133665-85-7.webp)
1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one
TL;DR: 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one (CAS 133665-85-7) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]ethanone
Also Known As: Maybridge1_005046, 1-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one, N-(2-BUTYL)GLYCINEETHYLESTER, 1-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]ethanone, 2-acetyl-5-(3-hydroxyprop-1-ynyl)thiophene
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.2945 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 340.9008 |
Chemical Identifiers
| CAS Number | 133665-85-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(S1)C#CCO |
Product Overview
1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one (CAS 133665-85-7), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: 1-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]ethanone.
Chemical Property Profile of 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one
Property Insights of 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one
The XLogP value of 1.2945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one?
The CAS number of 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one is 133665-85-7.
What is the molecular formula of 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one?
The molecular formula of 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one is C9H8O2S.
What is the molecular weight of 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one?
The molecular weight of 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one is 180.02 g/mol.
Where can I buy 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one?
You can request a quote for 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(3-Hydroxyprop-1-ynyl)-2-thienyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.